N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

C21H22N2O2 — CID 60622214

IUPACN-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H22N2O2/c1-15-4-8-17(9-5-15)19-14-22-20(25-19)12-13-21(24)23(3)18-10-6-16(2)7-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyYOAZAHXFFMBHPH-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 60622214) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID60622214
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H22N2O2/c1-15-4-8-17(9-5-15)19-14-22-20(25-19)12-13-21(24)23(3)18-10-6-16(2)7-11-18/h4-11,14H,12-13H2,1-3H3
InChIKeyYOAZAHXFFMBHPH-UHFFFAOYSA-N
XLogP4.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16579828
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
(4-methylphenyl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 30136027
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 31163241
2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
CID 119347414

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 60622214) is N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)N(C)c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is YOAZAHXFFMBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-4-8-17(9-5-15)19-14-22-20(25-19)12-13-21(24)23(3)18-10-6-16(2)7-11-18/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 60622214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).